N-(2-cyanoethyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-(6-nitro-3-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-2-[4-(6-nitro-3-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyanoethyl)-2-[4-(6-nitro-3-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C14H19N6O3+ MolecularWeight: 319.33906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCC#N)C2=CN=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCC#N)C2=CN=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N6O3/c15-4-1-5-16-14(21)11-18-6-8-19(9-7-18)12-2-3-13(17-10-12)20(22)23/h2-3,10H,1,5-9,11H2,(H,16,21)/p+1